Posts by Christoph Jansen

1) Message boards : Current tests : New crediting system (Message 2208)
Posted 21 Aug 2006 by Profile Christoph Jansen
Post:
Hi,

I am not sure if this of value for the crediting system, but I have done a check of some 20 Rosetta WUs and have found out that the time to calculate one decoy is pretty exactly proportional to the number of amino acids in the protein to the power of 1,3.

My formula is (number of amino acids)^1.3*n(decoys) / time = const.(for a given machine)

It yields pretty good values that vary by an average of 2.3% around the median. I am still collecting numbers to compare, but the latest two samples I put in after adjusting the proportionality factor had 99,9 and 100,2 of the average "work factor" for my machine. And the length of proteins varies from 28 to 157 amino acids, which is a factor of nearly six in length.

If that also accounts for other machines it would be pretty easy to just calculate a number of given WUs of classified types several times to get a group of average results that can be applied to all other machines out there. Then all you would need to grant credits for any other WU is the number of amino acids in the protein and the method used for the calculation. You would have to repeat the calibration as soon as you change the method, but as long as the method is unchanged the credit is predictable and can thus be directly be derived from the number of decoys computed.

Of course, the new system seems to get into the swing pretty well. But maybe that observation might help to implement a system that relies less on precalculating credits on Ralph machines but on an empirical formula that can be derived from the number of amino acids in the template and the specific mathematical method used in the WU?

Regards,

Christoph

[edited for clarity]






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